CID 135624094

95335-85-6

Structural Information

Molecular Formula
C12H18N4O4
SMILES
CCOC(=O)C/C(=N/N=C/1\CC(=O)N(C(=O)N1C)C)/C
InChI
InChI=1S/C12H18N4O4/c1-5-20-11(18)6-8(2)13-14-9-7-10(17)16(4)12(19)15(9)3/h5-7H2,1-4H3/b13-8+,14-9+
InChIKey
TWXSKGFSLFGYCI-UQNWOCKMSA-N
Compound name
ethyl (3E)-3-[(E)-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1328 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14008 164.6
[M+Na]+ 305.12202 172.2
[M+NH4]+ 300.16662 168.1
[M+K]+ 321.09596 169.0
[M-H]- 281.12552 163.5
[M+Na-2H]- 303.10747 165.5
[M]+ 282.13225 164.6
[M]- 282.13335 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.